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Home > Other Heterocycles > 874918-38-4

874918-38-4

874918-38-4 | 2,3-Diazabicyclo[2.2.2]octane, 2,3-bis(4-methoxyphenyl)-

CAS No: 874918-38-4 Catalog No: AG004FKP MDL No:

Product Description

Catalog Number:
AG004FKP
Chemical Name:
2,3-Diazabicyclo[2.2.2]octane, 2,3-bis(4-methoxyphenyl)-
CAS Number:
874918-38-4
Molecular Formula:
C20H24N2O2
Molecular Weight:
324.4168
IUPAC Name:
2,3-bis(4-methoxyphenyl)-2,3-diazabicyclo[2.2.2]octane
InChI:
InChI=1S/C20H24N2O2/c1-23-19-11-7-17(8-12-19)21-15-3-5-16(6-4-15)22(21)18-9-13-20(24-2)14-10-18/h7-16H,3-6H2,1-2H3
InChI Key:
QEPSETNZOOOABI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C2CCC(N1c1ccc(cc1)OC)CC2

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.184g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.424g/mol
Monoisotopic Mass:
324.184g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

Literature

Title Journal
Interpretation of unusual absorption bandwidths and resonance Raman intensities in excited state mixed valence. The journal of physical chemistry. A 20060112

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